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BDBM176649 US9115121, 41

SMILES: COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1cccc2cnccc12

InChI Key: InChIKey=PUYZFQKWHPXRFJ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 176649   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM176649
PNG
(US9115121, 41)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1cccc2cnccc12
Show InChI InChI=1S/C21H18FN5O/c1-28-21-26-19(18-4-2-3-15-13-23-11-10-17(15)18)25-20(27-21)24-12-9-14-5-7-16(22)8-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,24,25,26,27)
PDB

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US Patent
n/an/a 20n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)


BindingDB Entry DOI: 10.7270/Q23N225X
More data for this
Ligand-Target Pair